tert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate

C24H35N5O3 — CID 86934479

IUPACtert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC(C)N1C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C
InChIInChI=1S/C24H35N5O3/c1-14(2)29-21-19(11-25-29)18(10-20(26-21)17-8-9-17)22(30)28-15(3)12-27(13-16(28)4)23(31)32-24(5,6)7/h10-11,14-17H,8-9,12-13H2,1-7H3
InChIKeyJXPBGGLNXPOGHL-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.36
Rot. Bonds3

About tert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate

tert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate (PubChem CID 86934479) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is tert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate
PubChem CID86934479
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC Nametert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC(C)N1C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C
InChIInChI=1S/C24H35N5O3/c1-14(2)29-21-19(11-25-29)18(10-20(26-21)17-8-9-17)22(30)28-15(3)12-27(13-16(28)4)23(31)32-24(5,6)7/h10-11,14-17H,8-9,12-13H2,1-7H3
InChIKeyJXPBGGLNXPOGHL-UHFFFAOYSA-N
XLogP4.36
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 17440231
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 17458792
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490883
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39580979
(2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 126454534
2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 25379341
(4-amino-3,3-dimethylpiperidin-1-yl)-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120815555
tert-butyl 4-(1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 31122199
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26718637
tert-butyl N-[1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 55736757
6-cyclopropyl-N-(2-hydroxypropyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 78855347
1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile
CID 166415736

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate (CID 86934479) is tert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)CC(C)N1C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C.
What is the InChIKey of tert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate?
The InChIKey is JXPBGGLNXPOGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-14(2)29-21-19(11-25-29)18(10-20(26-21)17-8-9-17)22(30)28-15(3)12-27(13-16(28)4)23(31)32-24(5,6)7/h10-11,14-17H,8-9,12-13H2,1-7H3.
What are the key properties of tert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate?
tert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate has a molecular weight of 441.58 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-3,5-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 86934479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).